Evolution of the solid electrolyte interphase formation with anion degration on Li-100 surface. The long-timescale (>100 ps) DFT-MD trajectories capture reaction pathways that are not visible at shorter timescales and provide a comprehensive picture of the initiation of solid electrolyte interphase formation. 

ChemPhysChem  2026,  27, e202500917. https://doi.org/10.1002/cphc.202500917 (full-text read-only link)

Multi-sun illumination enhances activity via increased charge carrier density and promotes rapid CH₄ desorption, DFT reveals a *CHO-mediated pathway with reduced energy barriers enabled by dual cocatalysts.

Applied Catalysis B: Energy and Environment 2026 https://doi.org/10.1016/j.apcatb.2026.127142
(Early view - full text link)

Water-ion recombination in nanoscale small droplets - JACS 2025, 147, 8, 6583-6593